Geometry & MOs

Info

ID:	147595
PubChem CID:	53787251
Reduced:	OCl2N3C15H15 (1)
Stoich.:	AB2C3D15E15 (1)
Weight, g/mol:	271.189592
ΔH_f, kcal/mol:	-11.15
Dipole, Da:	7.87
IP(EA), eV:	-9.45(-0.54)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

4-[[[(2S)-2,5-diaminopentanoyl]amino]methyl]cyclohexane-1-carboxylic acid

Drug info:

PubChemData

Smile

CC1=C(C(=O)N=C(N1)N)CC=C(C)C2=C(C=CC(=C2)Cl)Cl

DOS

IR

Vibrations